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How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II

Beckwith, Martha A. and Ames, William and Vila, Fernando D. and Krewald, Vera and Pantazis, Dimitrios A. and Mantel, Claire and Pécaut, Jacques and Gennari, Marcello and Duboc, Carole and Collomb, Marie-Noëlle and Yano, Junko and Rehr, John J. and Neese, Frank and DeBeer, Serena (2015):
How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II.
In: Journal of the American Chemical Society, pp. 12815-12834, 137, (40), ISSN 0002-7863,
DOI: 10.1021/jacs.5b00783,
[Online-Edition: https://doi.org/10.1021/jacs.5b00783],
[Article]

Item Type: Article
Erschienen: 2015
Creators: Beckwith, Martha A. and Ames, William and Vila, Fernando D. and Krewald, Vera and Pantazis, Dimitrios A. and Mantel, Claire and Pécaut, Jacques and Gennari, Marcello and Duboc, Carole and Collomb, Marie-Noëlle and Yano, Junko and Rehr, John J. and Neese, Frank and DeBeer, Serena
Title: How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II
Language: English
Journal or Publication Title: Journal of the American Chemical Society
Volume: 137
Number: 40
Divisions: 07 Department of Chemistry
07 Department of Chemistry > Theoretische Chemie
Date Deposited: 22 Jan 2019 09:00
DOI: 10.1021/jacs.5b00783
Official URL: https://doi.org/10.1021/jacs.5b00783
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